Molecule

ID:71542

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h3-12,16H,1-2H3
InChIKey
QKBUMGWVDNFABU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(c1ccccc1)C
Isomeric Smiles
c1ccc(C(C)Nc2ccc(cc2)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3373256
LogD (pH = 7.4)
3.4281106
Log P
3.429401
Molar Refractivity
71.7464
Polarizability
27.298594
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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